TL;DR: 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole (CAS 15776-99-5) is a chemical compound with molecular formula C16H16N2 and molecular weight 236.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-5,6-dimethylbenzimidazole
Also Known As: 1-benzyl-5,6-dimethyl-1H-benzimidazole, 1-benzyl-5,6-dimethylbenzimidazole, 1-benzyl-5,6-dimethyl-1H-1,3-benzodiazole, 5,6-dimethyl-1-benzylbenzimidazole, 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole
| Molecular Formula | C16H16N2 |
| Molecular Weight | 236.13135 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.13135 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=CC=C3 |
| InChIKey | QBSPTCPKPKHYPX-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole is 15776-99-5.
The molecular formula of 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole is C16H16N2.
The molecular weight of 5,6-Dimethyl-1-(phenylmethyl)-1H-benzimidazole is 236.13135 g/mol.
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